Basic information
- CAS
861216-48-0- Standard SMILES
C=CC(C)(C)OC(=O)OC(C)(C)C- InChIKey
ZJQDKOCPGJENOX-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- Tert-butyl 2-methylbut-3-en-2-yl carbonate
- IUPAC
- tert-butyl 2-methylbut-3-en-2-yl carbonate
Names & synonyms
tert-butyl 2-methylbut-3-en-2-yl carbonate861216-48-0tert-Butyl (2-methylbut-3-en-2-yl) carbonateSCHEMBL29176421
Database identifiers
- CAS
861216-48-0- PubChem CID
- 11615305
- EC Number
- 177-575-0
- Nikkaji
- J2.369.880C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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